N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C20H20F2N2O3 — CID 46836133

IUPACN-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cc(O)c(C2CCCC2)cc1F)C1CNc2ccc(F)cc2O1
InChIInChI=1S/C20H20F2N2O3/c21-12-5-6-15-18(7-12)27-19(10-23-15)20(26)24-16-9-17(25)13(8-14(16)22)11-3-1-2-4-11/h5-9,11,19,23,25H,1-4,10H2,(H,24,26)
InChIKeyUEPYMRYYKPTYSN-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.14
Rot. Bonds3

About N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 46836133) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID46836133
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC NameN-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cc(O)c(C2CCCC2)cc1F)C1CNc2ccc(F)cc2O1
InChIInChI=1S/C20H20F2N2O3/c21-12-5-6-15-18(7-12)27-19(10-23-15)20(26)24-16-9-17(25)13(8-14(16)22)11-3-1-2-4-11/h5-9,11,19,23,25H,1-4,10H2,(H,24,26)
InChIKeyUEPYMRYYKPTYSN-UHFFFAOYSA-N
XLogP4.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 46836133) is N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(Nc1cc(O)c(C2CCCC2)cc1F)C1CNc2ccc(F)cc2O1.
What is the InChIKey of N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is UEPYMRYYKPTYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c21-12-5-6-15-18(7-12)27-19(10-23-15)20(26)24-16-9-17(25)13(8-14(16)22)11-3-1-2-4-11/h5-9,11,19,23,25H,1-4,10H2,(H,24,26).
What are the key properties of N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyl-2-fluoro-5-hydroxyphenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 46836133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).